N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-5-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide;1-[(1-methylimidazol-2-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-methyl-3H-pyrrol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C120H126F15N13O12 — CID 167667412

IUPACN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-5-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide;1-[(1-methylimidazol-2-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-methyl-3H-pyrrol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCC1=C(CN(Cc2ccccc2C)CC(O)COc2ccc(C(F)(F)F)cc2)CC=N1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cc[nH]c1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cnc[nH]1.Cc1ccccc1CN(Cc1cn[nH]c1-c1ccccc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1nccn1C)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H28F3N3O2.C24H27F3N2O2.C23H26F3N3O2.C23H23F3N2O3.C22H22F3N3O3/c1-20-7-5-6-10-22(20)16-34(17-23-15-32-33-27(23)21-8-3-2-4-9-21)18-25(35)19-36-26-13-11-24(12-14-26)28(29,30)31;1-17-5-3-4-6-19(17)13-29(14-20-11-12-28-18(20)2)15-22(30)16-31-23-9-7-21(8-10-23)24(25,26)27;1-17-5-3-4-6-18(17)13-29(15-22-27-11-12-28(22)2)14-20(30)16-31-21-9-7-19(8-10-21)23(24,25)26;1-16-4-2-3-5-18(16)13-28(22(30)17-10-11-27-12-17)14-20(29)15-31-21-8-6-19(7-9-21)23(24,25)26;1-15-4-2-3-5-16(15)11-28(21(30)20-10-26-14-27-20)12-18(29)13-31-19-8-6-17(7-9-19)22(23,24)25/h2-15,25,35H,16-19H2,1H3,(H,32,33);3-10,12,22,30H,11,13-16H2,1-2H3;3-12,20,30H,13-16H2,1-2H3;2-12,20,27,29H,13-15H2,1H3;2-10,14,18,29H,11-13H2,1H3,(H,26,27)
InChIKeySVMCMNABULDDKO-UHFFFAOYSA-N
MW2227.38 g/mol
LogP23.28
Rot. Bonds44

About N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-5-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide;1-[(1-methylimidazol-2-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-methyl-3H-pyrrol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-5-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide;1-[(1-methylimidazol-2-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-methyl-3H-pyrrol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 167667412) has the molecular formula C120H126F15N13O12 and a molecular weight of 2227.38 g/mol. Its IUPAC name is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-5-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide;1-[(1-methylimidazol-2-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-methyl-3H-pyrrol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound NameN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-5-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide;1-[(1-methylimidazol-2-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-methyl-3H-pyrrol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID167667412
Molecular FormulaC120H126F15N13O12
Molecular Weight2227.38 g/mol
Exact Mass2225.94
IUPAC NameN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-5-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide;1-[(1-methylimidazol-2-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-methyl-3H-pyrrol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCC1=C(CN(Cc2ccccc2C)CC(O)COc2ccc(C(F)(F)F)cc2)CC=N1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cc[nH]c1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cnc[nH]1.Cc1ccccc1CN(Cc1cn[nH]c1-c1ccccc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1nccn1C)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H28F3N3O2.C24H27F3N2O2.C23H26F3N3O2.C23H23F3N2O3.C22H22F3N3O3/c1-20-7-5-6-10-22(20)16-34(17-23-15-32-33-27(23)21-8-3-2-4-9-21)18-25(35)19-36-26-13-11-24(12-14-26)28(29,30)31;1-17-5-3-4-6-19(17)13-29(14-20-11-12-28-18(20)2)15-22(30)16-31-23-9-7-21(8-10-23)24(25,26)27;1-17-5-3-4-6-18(17)13-29(15-22-27-11-12-28(22)2)14-20(30)16-31-21-9-7-19(8-10-21)23(24,25)26;1-16-4-2-3-5-18(16)13-28(22(30)17-10-11-27-12-17)14-20(29)15-31-21-8-6-19(7-9-21)23(24,25)26;1-15-4-2-3-5-16(15)11-28(21(30)20-10-26-14-27-20)12-18(29)13-31-19-8-6-17(7-9-19)22(23,24)25/h2-15,25,35H,16-19H2,1H3,(H,32,33);3-10,12,22,30H,11,13-16H2,1-2H3;3-12,20,30H,13-16H2,1-2H3;2-12,20,27,29H,13-15H2,1H3;2-10,14,18,29H,11-13H2,1H3,(H,26,27)
InChIKeySVMCMNABULDDKO-UHFFFAOYSA-N
XLogP23.28
TPSA300.97 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds44
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002227.38
LogP ≤ 523.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-5-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide;1-[(1-methylimidazol-2-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-methyl-3H-pyrrol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol with MolForge

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Related Compounds

1,2-dimethyl-4-methylidene-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine;7-(1-ethylpyrazol-4-yl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;methane;3-methyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;bis(3-methyl-7-(1-propan-2-ylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one);3-methyl-7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-4-one
CID 160167395
1,2-dimethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;7-(1-ethylpyrazol-4-yl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;3-ethyl-7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;methane;3-methyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;bis(3-methyl-7-(1-propan-2-ylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one);7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-4-one
CID 160908378
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(4-phenyl-1H-pyrrol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167562959
N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide;1-[3-(3-methylimidazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(3S)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;(3R)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline
CID 167594372
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrrole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,4-diene-1-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-3H-pyrrole-4-carboxamide
CID 167642831
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-3H-pyrrole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-3H-pyrrole-5-carboxamide
CID 167642999
1-[(2-chlorophenyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 167684724
N,N-dibenzyl-3-[4-(trifluoromethyl)phenoxy]propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167697673
6-[2-[4-[2-[5-[2-hydroxy-3-(methylamino)propoxy]-2-[[4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]methyl]phenyl]-6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]-1-methylimidazol-2-yl]ethyl-(oxan-4-yl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-yl)pyrimidine-4-carboxamide
CID 138622263
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,2-dimethylimidazole-4-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-8-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 157793920
1-(1,2-dimethylimidazol-4-yl)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-imidazo[1,2-a]pyridin-8-ylethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)ethenamine
CID 158099462
1-[4-[[(Z)-2-(aminomethyl)-3-fluoroprop-2-enyl]amino]phenyl]-3-ethyl-1-methylurea;1-[4-[[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]amino]phenyl]-3-ethyl-1-methylurea;1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-N-tert-butylindole-3-carboxamide;1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-N-tert-butylindole-4-carboxamide;N-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enyl]-2-phenylacetamide;N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-2-phenylacetamide;[(Z)-2-(aminomethyl)-3-fluoroprop-2-enyl] 2-phenylacetate;[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl] 2-phenylacetate;(Z)-3-fluoro-2-[[4-(1H-imidazol-2-yl)phenoxy]methyl]prop-2-en-1-amine;(E)-3-fluoro-2-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 159854173

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-5-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide;1-[(1-methylimidazol-2-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-methyl-3H-pyrrol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-5-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide;1-[(1-methylimidazol-2-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-methyl-3H-pyrrol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 167667412) is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-5-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide;1-[(1-methylimidazol-2-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-methyl-3H-pyrrol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-5-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide;1-[(1-methylimidazol-2-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-methyl-3H-pyrrol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-5-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide;1-[(1-methylimidazol-2-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-methyl-3H-pyrrol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is CC1=C(CN(Cc2ccccc2C)CC(O)COc2ccc(C(F)(F)F)cc2)CC=N1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cc[nH]c1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cnc[nH]1.Cc1ccccc1CN(Cc1cn[nH]c1-c1ccccc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1nccn1C)CC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-5-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide;1-[(1-methylimidazol-2-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-methyl-3H-pyrrol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is SVMCMNABULDDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N3O2.C24H27F3N2O2.C23H26F3N3O2.C23H23F3N2O3.C22H22F3N3O3/c1-20-7-5-6-10-22(20)16-34(17-23-15-32-33-27(23)21-8-3-2-4-9-21)18-25(35)19-36-26-13-11-24(12-14-26)28(29,30)31;1-17-5-3-4-6-19(17)13-29(14-20-11-12-28-18(20)2)15-22(30)16-31-23-9-7-21(8-10-23)24(25,26)27;1-17-5-3-4-6-18(17)13-29(15-22-27-11-12-28(22)2)14-20(30)16-31-21-9-7-19(8-10-21)23(24,25)26;1-16-4-2-3-5-18(16)13-28(22(30)17-10-11-27-12-17)14-20(29)15-31-21-8-6-19(7-9-21)23(24,25)26;1-15-4-2-3-5-16(15)11-28(21(30)20-10-26-14-27-20)12-18(29)13-31-19-8-6-17(7-9-19)22(23,24)25/h2-15,25,35H,16-19H2,1H3,(H,32,33);3-10,12,22,30H,11,13-16H2,1-2H3;3-12,20,30H,13-16H2,1-2H3;2-12,20,27,29H,13-15H2,1H3;2-10,14,18,29H,11-13H2,1H3,(H,26,27).
What are the key properties of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-5-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide;1-[(1-methylimidazol-2-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-methyl-3H-pyrrol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-5-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide;1-[(1-methylimidazol-2-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-methyl-3H-pyrrol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 2227.38 g/mol, XLogP of 23.28, 44 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-5-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide;1-[(1-methylimidazol-2-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-methyl-3H-pyrrol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 167667412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).